4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid

C17H19NO3 — CID 62041314

IUPAC4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-17(2,10-9-15(19)20)18-16(21)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQTDBTHHEFOHGRX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.21
Rot. Bonds5

About 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid

4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid (PubChem CID 62041314) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
PubChem CID62041314
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-17(2,10-9-15(19)20)18-16(21)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQTDBTHHEFOHGRX-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
CID 64672120
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 79725836
4-[[3-[[benzyl(methyl)amino]methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357272
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid (CID 62041314) is 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid?
The InChIKey is QTDBTHHEFOHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,10-9-15(19)20)18-16(21)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid?
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 62041314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).